bis(2-methoxyethyl) (E)-2,3-dibromobut-2-enedioate

C10H14Br2O6 — CID 11811204

IUPACbis(2-methoxyethyl) (E)-2,3-dibromobut-2-enedioate
SMILESCOCCOC(=O)/C(Br)=C(\Br)C(=O)OCCOC
InChIInChI=1S/C10H14Br2O6/c1-15-3-5-17-9(13)7(11)8(12)10(14)18-6-4-16-2/h3-6H2,1-2H3/b8-7+
InChIKeyURTXJVDYKKDJNO-BQYQJAHWSA-N
MW390.02 g/mol
LogP1.37
Rot. Bonds8

About bis(2-methoxyethyl) (E)-2,3-dibromobut-2-enedioate

bis(2-methoxyethyl) (E)-2,3-dibromobut-2-enedioate (PubChem CID 11811204) has the molecular formula C10H14Br2O6 and a molecular weight of 390.02 g/mol. Its IUPAC name is bis(2-methoxyethyl) (E)-2,3-dibromobut-2-enedioate.

Molecular Properties

Compound Namebis(2-methoxyethyl) (E)-2,3-dibromobut-2-enedioate
PubChem CID11811204
Molecular FormulaC10H14Br2O6
Molecular Weight390.02 g/mol
Exact Mass387.92
IUPAC Namebis(2-methoxyethyl) (E)-2,3-dibromobut-2-enedioate
SMILESCOCCOC(=O)/C(Br)=C(\Br)C(=O)OCCOC
InChIInChI=1S/C10H14Br2O6/c1-15-3-5-17-9(13)7(11)8(12)10(14)18-6-4-16-2/h3-6H2,1-2H3/b8-7+
InChIKeyURTXJVDYKKDJNO-BQYQJAHWSA-N
XLogP1.37
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.02
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bis[2-(2-methoxyethoxy)ethyl] (Z)-2,3-dimethylbut-2-enedioate
CID 58362019
1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] oxalate
CID 89311377
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 22918033
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 162171139
2-methoxyethyl N-[2-(2-methoxyethoxycarbonylamino)ethyl]carbamate
CID 118910846
2-methoxyethyl 3-amino-2-oxopentanoate
CID 141214203
2-methoxyethyl (E)-3-hydroxy-2-nitrosobut-2-enoate
CID 146258348
2-methoxyethyl 2-ethylidenepent-3-enoate
CID 123997768
1,2-dimethoxyethane;nickel(2+);dichloride
CID 22904217
magnesium;1,2-dimethoxyethane;dichloride
CID 174702876
1,2-dimethoxyethane;niobium;hydrochloride
CID 88933065
azane;1,2-dimethoxyethane;hydrochloride
CID 175079035

Frequently Asked Questions

What is the IUPAC name of bis(2-methoxyethyl) (E)-2,3-dibromobut-2-enedioate?
The IUPAC name of bis(2-methoxyethyl) (E)-2,3-dibromobut-2-enedioate (CID 11811204) is bis(2-methoxyethyl) (E)-2,3-dibromobut-2-enedioate.
What is the SMILES notation for bis(2-methoxyethyl) (E)-2,3-dibromobut-2-enedioate?
The canonical SMILES for bis(2-methoxyethyl) (E)-2,3-dibromobut-2-enedioate is COCCOC(=O)/C(Br)=C(\Br)C(=O)OCCOC.
What is the InChIKey of bis(2-methoxyethyl) (E)-2,3-dibromobut-2-enedioate?
The InChIKey is URTXJVDYKKDJNO-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H14Br2O6/c1-15-3-5-17-9(13)7(11)8(12)10(14)18-6-4-16-2/h3-6H2,1-2H3/b8-7+.
What are the key properties of bis(2-methoxyethyl) (E)-2,3-dibromobut-2-enedioate?
bis(2-methoxyethyl) (E)-2,3-dibromobut-2-enedioate has a molecular weight of 390.02 g/mol, XLogP of 1.37, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methoxyethyl) (E)-2,3-dibromobut-2-enedioate is sourced from PubChem (CID 11811204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).